IUPAC Name: 7H-pyrrolo[2,3-d]pyrimidin-4-amine; sulfuric acid
Synonyms of 4-Amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate (CAS NO.856600-01-6): 7H-pyrrolo[2,3-d]pyrimidin-4-amine sulfate ; 5H-Pyrrolo[2,3-d]pyrimidin-4-amine,6,7-dihydro-
CAS NO: 856600-01-6
Molecular Formula: C6H8N4O4S
Molecular Weight: 232.21712
Molecular Structure:
H bond acceptors: 8
H bond donors: 5
Freely Rotating Bonds: 0
Polar Surface Area: 94.93 Å2
SMILES: O=S(=O)(O)O.n1c(c2c(nc1)ncc2)N
InChI: InChI=1/C6H6N4.H2O4S/c7-5-4-1-2-8-6(4)10-3-9-5;1-5(2,3)4/h1-3H,(H3,7,8,9,10);(H2,1,2,3,4)
InChIKey: ZVFLCRGXDSPVKK-UHFFFAOYAA
Std. InChI: InChI=1S/C6H6N4.H2O4S/c7-5-4-1-2-8-6(4)10-3-9-5;1-5(2,3)4/h1-3H,(H3,7,8,9,10);(H2,1,2,3,4)
Std. InChIKey: ZVFLCRGXDSPVKK-UHFFFAOYSA-N
Product Categories of 4-Amino-7H-pyrrolo[2,3-d]pyrimidine hydrogen sulfate (CAS NO.856600-01-6): API intermediates;Heterocycle intermediates;Pyrimidines;Pyrimidine
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